UCSF

ZINC15920091

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.35 5.67 -64.61 1 8 -1 116 424.429 9
Mid Mid (pH 6-8) 2.80 4.99 -28.52 2 8 0 113 425.437 8
Mid Mid (pH 6-8) 1.77 5.98 -21.87 1 8 0 110 425.437 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )